NeurIPS 2022 Papers

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier–Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop \textsc{AirfRANS}, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier–Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study \textsc{AirfRANS} under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

Generic motion understanding from video involves not only tracking objects, but also perceiving how their surfaces deform and move. This information is useful to make inferences about 3D shape, physical properties and object interactions. While the problem of tracking arbitrary physical points on surfaces over longer video clips has received some attention, no dataset or benchmark for evaluation existed, until now. In this paper, we first formalize the problem, naming it tracking any point (TAP). We introduce a companion benchmark,TAP-Vid, which is composed of both real-world videos with accurate human annotations of point tracks, and synthetic videos with perfect ground-truth point tracks. Central to the construction of our benchmark is a novel semi-automatic crowdsourced pipeline which uses optical flow estimates to compensate for easier, short-term motion like camera shake, allowing annotators to focus on harder sections of the video. We validate our pipeline on synthetic data and propose a simple end-to-end point tracking model, TAP-Net, showing that it outperforms all prior methods on our benchmark when trained on synthetic data.

We propose a simple but effective source-free domain adaptation (SFDA) method. Treating SFDA as an unsupervised clustering problem and following the intuition that local neighbors in feature space should have more similar predictions than other features, we propose to optimize an objective of prediction consistency. This objective encourages local neighborhood features in feature space to have similar predictions while features farther away in feature space have dissimilar predictions, leading to efficient feature clustering and cluster assignment simultaneously. For efficient training, we seek to optimize an upper-bound of the objective resulting in two simple terms. Furthermore, we relate popular existing methods in domain adaptation, source-free domain adaptation and contrastive learning via the perspective of discriminability and diversity. The experimental results prove the superiority of our method, and our method can be adopted as a simple but strong baseline for future research in SFDA. Our method can be also adapted to source-free open-set and partial-set DA which further shows the generalization ability of our method. Code is available in https://github.com/Albert0147/AaD_SFDA.

An accurate model of the environment and the dynamic agents acting in it offers great potential for improving motion planning. We present MILE: a Model-based Imitation LEarning approach to jointly learn a model of the world and a policy for autonomous driving. Our method leverages 3D geometry as an inductive bias and learns a highly compact latent space directly from high-resolution videos of expert demonstrations. Our model is trained on an offline corpus of urban driving data, without any online interaction with the environment. MILE improves upon prior state-of-the-art by 31% in driving score on the CARLA simulator when deployed in a completely new town and new weather conditions. Our model can predict diverse and plausible states and actions, that can be interpretably decoded to bird's-eye view semantic segmentation. Further, we demonstrate that it can execute complex driving manoeuvres from plans entirely predicted in imagination. Our approach is the first camera-only method that models static scene, dynamic scene, and ego-behaviour in an urban driving environment. The code and model weights are available at https://github.com/wayveai/mile.

Machine learning models are vulnerable to data-poisoning attacks, in which an attacker maliciously modifies the training set to change the prediction of a learned model. In a trigger-less attack, the attacker can modify the training set but not the test inputs, while in a backdoor attack the attacker can also modify test inputs. Existing model-agnostic defense approaches either cannot handle backdoor attacks or do not provide effective certificates (i.e., a proof of a defense). We present BagFlip, a model-agnostic certified approach that can effectively defend against both trigger-less and backdoor attacks. We evaluate BagFlip on image classification and malware detection datasets. BagFlip is equal to or more effective than the state-of-the-art approaches for trigger-less attacks and more effective than the state-of-the-art approaches for backdoor attacks.

We consider the problem of controlling an unknown linear dynamical system under adversarially-changing convex costs and full feedback of both the state and cost function. We present the first computationally-efficient algorithm that attains an optimal $\sqrt{T}$-regret rate compared to the best stabilizing linear controller in hindsight, while avoiding stringent assumptions on the costs such as strong convexity. Our approach is based on a careful design of non-convex lower confidence bounds for the online costs, and uses a novel technique for computationally-efficient regret minimization of these bounds that leverages their particular non-convex structure.

Substantial work indicates that the dynamics of neural networks (NNs) is closely related to their initialization of parameters. Inspired by the phase diagram for two-layer ReLU NNs with infinite width (Luo et al., 2021), we make a step towards drawing a phase diagram for three-layer ReLU NNs with infinite width. First, we derive a normalized gradient flow for three-layer ReLU NNs and obtain two key independent quantities to distinguish different dynamical regimes for common initialization methods. With carefully designed experiments and a large computation cost, for both synthetic datasets and real datasets, we find that the dynamics of each layer also could be divided into a linear regime and a condensed regime, separated by a critical regime. The criteria is the relative change of input weights (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) as the width approaches infinity during the training, which tends to $0$, $+\infty$ and $O(1)$, respectively. In addition, we also demonstrate that different layers can lie in different dynamical regimes in a training process within a deep NN. In the condensed regime, we also observe the condensation of weights in isolated orientations with low complexity. Through experiments under three-layer condition, our phase diagram suggests a complicated dynamical regimes consisting of three possible regimes, together with their mixture, for deep NNs and provides a guidance for studying deep NNs in different initialization regimes, which reveals the possibility of completely different dynamics emerging within a deep NN for its different layers.

The industry practice has been moving to embedding based retrieval (EBR). For example, in many applications, the embedding vectors are trained by some form of two-tower models. During serving phase, candidates (embedding vectors) are retrieved according to the rankings of cosine similarities either exhaustively or by approximate near neighbor (ANN) search algorithms. For those applications, it is natural to apply ``sign random projections'' (SignRP) or variants, on the trained embedding vectors to facilitate efficient data storage and cosine distance computations. SignRP is also one of the standard indexing schemes for conducting approximate near neighbor search. In the literature, SignRP has been popular and, to an extent, becomes the default method for ``locality sensitive hashing'' (LSH). In this paper, we propose ``sign random Fourier features'' (SignRFF) as an alternative to SignRP. The original method of random Fourier features (RFF) is a standard technique for approximating the Gaussian kernel (as opposed to the linear cosine kernel), in the literature of large-scale machine learning. Basically, RFF applies a simple nonlinear transformation on the samples generated by random projections (RP). Thus, in the pipeline of EBR, it is straightforward to replace SignRP by SignRFF. This paper explains, in a principled manner, why it makes sense to do so. In this paper, a new analytical measure called \textbf{Ranking Efficiency (RE)} is developed, which in retrospect is closely related to the ``two-sample mean'' $t$-test statistic for binomial variables. RE provides a systematic and unified framework for comparing different LSH methods. We compare our proposed SignRP with SignRP, KLSH (kernel LSH), as well SQ-RFF (which is another 1-bit coding scheme for RFF). According to the RE expression, SignRFF consistently outperforms KLSH (for Gaussian kernel) and SQ-RFF. SignRFF also outperforms SignRP in the relatively high similarity region. The theoretical comparison results are consistent with our empirical findings. In addition, experiments are conducted to compare SignRFF with a wide range of data-dependent and deep learning based hashing methods and show the advantage of SignRFF with a sufficient number of hash bits.

Human-designed visual manuals are crucial components in shape assembly activities. They provide step-by-step guidance on how we should move and connect different parts in a convenient and physically-realizable way. While there has been an ongoing effort in building agents that perform assembly tasks, the information in human-design manuals has been largely overlooked. We identify that this is due to 1) a lack of realistic 3D assembly objects that have paired manuals and 2) the difficulty of extracting structured information from purely image-based manuals. Motivated by this observation, we present IKEA-Manual, a dataset consisting of 102 IKEA objects paired with assembly manuals. We provide fine-grained annotations on the IKEA objects and assembly manuals, including decomposed assembly parts, assembly plans, manual segmentation, and 2D-3D correspondence between 3D parts and visual manuals. We illustrate the broad application of our dataset on four tasks related to shape assembly: assembly plan generation, part segmentation, pose estimationand 3D part assembly.

Many past works aim to improve visual reasoning in models by supervising feature importance (estimated by model explanation techniques) with human annotations such as highlights of important image regions. However, recent work has shown that performance gains from feature importance (FI) supervision for Visual Question Answering (VQA) tasks persist even with random supervision, suggesting that these methods do not meaningfully align model FI with human FI. In this paper, we show that model FI supervision can meaningfully improve VQA model accuracy as well as performance on several Right-for-the-Right-Reason (RRR) metrics by optimizing for four key model objectives: (1) accurate predictions given limited but sufficient information (Sufficiency); (2) max-entropy predictions given no important information (Uncertainty); (3) invariance of predictions to changes in unimportant features (Invariance); and (4) alignment between model FI explanations and human FI explanations (Plausibility). Our best performing method, Visual Feature Importance Supervision (VISFIS), outperforms strong baselines on benchmark VQA datasets in terms of both in-distribution and out-of-distribution accuracy. While past work suggests that the mechanism for improved accuracy is through improved explanation plausibility, we show that this relationship depends crucially on explanation faithfulness (whether explanations truly represent the model’s internal reasoning). Predictions are more accurate when explanations are plausible and faithful, and not when they are plausible but not faithful. Lastly, we show that, surprisingly, RRR metrics are not predictive of out-of-distribution model accuracy when controlling for a model’s in-distribution accuracy, which calls into question the value of these metrics for evaluating model reasoning.

The ability to associate touch with sight is essential for tasks that require physically interacting with objects in the world. We propose a dataset with paired visual and tactile data called Touch and Go, in which human data collectors probe objects in natural environments using tactile sensors, while simultaneously recording egocentric video. In contrast to previous efforts, which have largely been confined to lab settings or simulated environments, our dataset spans a large number of “in the wild” objects and scenes. We successfully apply our dataset to a variety of multimodal learning tasks: 1) self-supervised visuo-tactile feature learning, 2) tactile-driven image stylization, i.e., making the visual appearance of an object more consistent with a given tactile signal, and 3) predicting future frames of a tactile signal from visuo-tactile inputs.

The many successes of deep neural networks (DNNs) over the past decade have largely been driven by computational scale rather than insights from biological intelligence. Here, we explore if these trends have also carried concomitant improvements in explaining the visual strategies humans rely on for object recognition. We do this by comparing two related but distinct properties of visual strategies in humans and DNNs: where they believe important visual features are in images and how they use those features to categorize objects. Across 84 different DNNs trained on ImageNet and three independent datasets measuring the where and the how of human visual strategies for object recognition on those images, we find a systematic trade-off between DNN categorization accuracy and alignment with human visual strategies for object recognition. \textit{State-of-the-art DNNs are progressively becoming less aligned with humans as their accuracy improves}. We rectify this growing issue with our neural harmonizer: a general-purpose training routine that both aligns DNN and human visual strategies and improves categorization accuracy. Our work represents the first demonstration that the scaling laws that are guiding the design of DNNs today have also produced worse models of human vision. We release our code and data at https://serre-lab.github.io/Harmonization to help the field build more human-like DNNs.

Recursion is the fundamental paradigm to finitely describe potentially infinite objects. As state-of-the-art reinforcement learning (RL) algorithms cannot directly reason about recursion, they must rely on the practitioner's ingenuity in designing a suitable "flat" representation of the environment. The resulting manual feature constructions and approximations are cumbersome and error-prone; their lack of transparency hampers scalability. To overcome these challenges, we develop RL algorithms capable of computing optimal policies in environments described as a collection of Markov decision processes (MDPs) that can recursively invoke one another. Each constituent MDP is characterized by several entry and exit points that correspond to input and output values of these invocations. These recursive MDPs (or RMDPs) are expressively equivalent to probabilistic pushdown systems (with call-stack playing the role of the pushdown stack), and can model probabilistic programs with recursive procedural calls. We introduce Recursive Q-learning---a model-free RL algorithm for RMDPs---and prove that it converges for finite, single-exit and deterministic multi-exit RMDPs under mild assumptions.

In this paper, we present two new algorithms for covariance estimation under concentrated differential privacy (zCDP). The first algorithm achieves a Frobenius error of $\tilde{O}(d^{1/4}\sqrt{\mathrm{tr}}/\sqrt{n} + \sqrt{d}/n)$, where $\mathrm{tr}$ is the trace of the covariance matrix. By taking $\mathrm{tr}=1$, this also implies a worst-case error bound of $\tilde{O}(d^{1/4}/\sqrt{n})$, which improves the standard Gaussian mechanism's $\tilde{O}(d/n)$ for the regime $d>\widetilde{\Omega}(n^{2/3})$. Our second algorithm offers a tail-sensitive bound that could be much better on skewed data. The corresponding algorithms are also simple and efficient. Experimental results show that they offer significant improvements over prior work.

State-of-the-art deep neural networks are still struggling to address the catastrophic forgetting problem in continual learning. In this paper, we propose one simple paradigm (named as S-Prompting) and two concrete approaches to highly reduce the forgetting degree in one of the most typical continual learning scenarios, i.e., domain increment learning (DIL). The key idea of the paradigm is to learn prompts independently across domains with pre-trained transformers, avoiding the use of exemplars that commonly appear in conventional methods. This results in a win-win game where the prompting can achieve the best for each domain. The independent prompting across domains only requests one single cross-entropy loss for training and one simple K-NN operation as a domain identifier for inference. The learning paradigm derives an image prompt learning approach and a novel language-image prompt learning approach. Owning an excellent scalability (0.03% parameter increase per domain), the best of our approaches achieves a remarkable relative improvement (an average of about 30%) over the best of the state-of-the-art exemplar-free methods for three standard DIL tasks, and even surpasses the best of them relatively by about 6% in average when they use exemplars. Source code is available at https://github.com/iamwangyabin/S-Prompts.

Vision Transformers (ViTs) have recently achieved competitive performance in broad vision tasks. Unfortunately, on popular threat models, naturally trained ViTs are shown to provide no more adversarial robustness than convolutional neural networks (CNNs). Adversarial training is still required for ViTs to defend against such adversarial attacks. In this paper, we provide the first and comprehensive study on the adversarial training recipe of ViTs via extensive evaluation of various training techniques across benchmark datasets. We find that pre-training and SGD optimizer are necessary for ViTs' adversarial training. Further considering ViT as a new type of model architecture, we investigate its adversarial robustness from the perspective of its unique architectural components. We find, when randomly masking gradients from some attention blocks or masking perturbations on some patches during adversarial training, the adversarial robustness of ViTs can be remarkably improved, which may potentially open up a line of work to explore the architectural information inside the newly designed models like ViTs. Our code is available at https://github.com/mo666666/When-Adversarial-Training-Meets-Vision-Transformers.

Fast and precise Lipschitz constant estimation of neural networks is an important task for deep learning. Researchers have recently found an intrinsic trade-off between the accuracy and smoothness of neural networks, so training a network with a loose Lipschitz constant estimation imposes a strong regularization, and can hurt the model accuracy significantly. In this work, we provide a unified theoretical framework, a quantitative geometric approach, to address the Lipschitz constant estimation. By adopting this framework, we can immediately obtain several theoretical results, including the computational hardness of Lipschitz constant estimation and its approximability. We implement the algorithms induced from this quantitative geometric approach, which are based on semidefinite programming (SDP). Our empirical evaluation demonstrates that they are more scalable and precise than existing tools on Lipschitz constant estimation for $\ell_\infty$-perturbations. Furthermore, we also show their intricate relations with other recent SDP-based techniques, both theoretically and empirically. We believe that this unified quantitative geometric perspective can bring new insights and theoretical tools to the investigation of neural-network smoothness and robustness.

Rationalization aims to strengthen the interpretability of NLP models by extracting a subset of human-intelligible pieces of their inputting texts. Conventional works generally employ a two-phase model in which a generator selects the most important pieces, followed by a predictor that makes predictions based on the selected pieces. However, such a two-phase model may incur the degeneration problem where the predictor overfits to the noise generated by a not yet well-trained generator and in turn, leads the generator to converge to a suboptimal model that tends to select senseless pieces. To tackle this challenge, we propose Folded Rationalization (FR) that folds the two phases of the rationale model into one from the perspective of text semantic extraction. The key idea of FR is to employ a unified encoder between the generator and predictor, based on which FR can facilitate a better predictor by access to valuable information blocked by the generator in the traditional two-phase model and thus bring a better generator. Empirically, we show that FR improves the F1 score by up to 10.3% as compared to state-of-the-art methods.

In this paper, we present a policy gradient method that avoids exploratory noise injection and performs policy search over the deterministic landscape, with the goal of improving learning with long horizons and non-local rewards. By avoiding noise injection all sources of estimation variance can be eliminated in systems with deterministic dynamics (up to the initial state distribution). Since deterministic policy regularization is impossible using traditional non-metric measures such as the KL divergence, we derive a Wasserstein-based quadratic model for our purposes. We state conditions on the system model under which it is possible to establish a monotonic policy improvement guarantee, propose a surrogate function for policy gradient estimation, and show that it is possible to compute exact advantage estimates if both the state transition model and the policy are deterministic. Finally, we describe two novel robotic control environments---one with non-local rewards in the frequency domain and the other with a long horizon (8000 time-steps)---for which our policy gradient method (TDPO) significantly outperforms existing methods (PPO, TRPO, DDPG, and TD3). Our implementation with all the experimental settings and a video of the physical hardware test is available at https://github.com/ehsansaleh/tdpo .